Numerical Simulation of Spinodal Deposition in Cu–6at.%Ni–3at.%Si Ternary Alloy Using of Phase Field Method

2011 ◽  
Vol 704-705 ◽  
pp. 1410-1415 ◽  
Author(s):  
Yong Qiang Long ◽  
Ping Liu ◽  
Yong Liu ◽  
Shu Guo Jiao ◽  
Bao Hong Tian

Based on Cahn-Hilliard nonlinear diffusion equation, the phase field model has been established for ternary alloy spinodal decomposition, which directly couples with Calphad thermodynamics and dynamics calculation and takes into account the effect of the coherent elastic energy. The simulated microstructures of spinodal decomposition were carried out in the isothermally-aged of Cu-6at.%Ni-3at.%Si alloy. The results indicate that the spinodal decomposition takes place at the early stage of Cu-6at.%Ni-3at.%Si alloy aging at temperatures of 723K, forming two-phases mixture of Cu-rich and Ni/Si-rich, and the decomposition microstructures are distributed in a semi-interconnected labyrinth-like form. Under the effect of the coherent elastic energy, the decomposition microstructures demonstrate the obvious anisotropic characteristics, and present interconnected rectangular stripes aligned along [10] and [01] directions. The growth of the decomposition microstructures is in accordance with the growth law of growth exponentn≈0.29, slightly less than the LSW’s prediction.

Metals ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 1209
Author(s):  
Wooseob Shin ◽  
Jeonghwan Lee ◽  
Kunok Chang

The effects of inhomogeneous elasticity and dislocation on the microstructure evolution of α′ precipitate in a Fe-Cr system was investigated using a Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD)-type free energy incorporated phase-field method. In order to simulate the precipitation behavior by phase-field modeling in consideration of inhomogeneous elasticity, a Multiphysics Object-Oriented Simulation Environment (MOOSE) framework was used, which makes it easy to use powerful numerical means such as parallel computing and finite element method (FEM) solver. The effect of inhomogeneous elasticity due to the compositional inhomogeneity or the presence of dislocations affects the thermodynamic properties of the system was investigated, such as the lowest Cr concentration at which spinodal decomposition occurs. The effect of inhomogeneous elasticity on phase separation kinetics is also studied. Finally, we analyzed how inhomogeneous elasticity caused by compositional fluctuation or dislocation affects microstructure characteristics such as ratio between maximum precipitate size with respect to the average on early stage and later stage, respectively.


2011 ◽  
Vol 415-417 ◽  
pp. 1168-1170
Author(s):  
Ying Jun Gao ◽  
Zhi Rong Luo

The typical Landau free energy functional with the fourth power of a solute composition field is not suitable for representing spinodal decomposition of a dilute Ag solute field in Al-Ag alloy. Facing this challenge, a new free energy density function is proposed for spinodal decomposition of a dilute Ag solute field of Al-Ag alloy. The evolution of the solute field in Al-4.2% Ag alloy is studied by phase-field method using this new function. The simulated results reveal that the precipitate free zone (PFZ) around the precipitated phase is an ellipse and its width is about two times that of phase, while in the region far from PFZ, a GPZ pattern of Ag solute field appears due to spinodal decomposition.


2015 ◽  
Vol 817 ◽  
pp. 809-815
Author(s):  
Wei Ping Dong ◽  
Zheng Chen

Based on the phase field theory, the long-range order (LRO) parameter related interatomic potentials equations were utilized to calculate the interatomic potentials of L10-Ni3(Al,V), L12-Ni3Al and L12-Ni3(Al,V) phases varying with temperature and concentrations. Using these potentials, the simulated microstructure evolution and the order parameter with the time of Ni75Al20V5 ternary alloy are simulated at temperature 1000K during the early stage of the precipitation process in this research. Results testify that the precipitation sequence during the early stage of Ni75Al20V5 alloy is the disordered phase →L10 pre-precipitation phase →L12 equilibrium phase. Firstly, the nonstoichiometric L10 pre-precipitation phase formed by congruent ordering precipitation mechanism; secondly, the nonstoichiometric L12 phase formed by transforming from L10 phase; thirdly, the stoichiometric equilibrium L12 phase formed by spinodal decomposition precipitation mechanism. It is discovered that the precipitation mechanism (congruent ordering+ spinodal decomposition) process was closely related to free energy and interatomic potentials: L10 pre-precipitation phase’s free energies are higher and interatomic potentials are smaller than those of L12 equilibrium phase.


2011 ◽  
Vol 415-417 ◽  
pp. 1482-1485
Author(s):  
Chuang Gao Huang ◽  
Ying Jun Gao ◽  
Li Lin Huang ◽  
Jun Long Tian

The second phase nucleation and precipitation around the edge dislocation are studied using phase-field method. A new free energy function is established. The simulation results are in good agreement with that of theory of dislocation and theory of non-uniform nucleation.


Author(s):  
Naoki Takada

For interface-tracking simulation of two-phase flows in various micro-fluidics devices, the applicability of two versions of Navier-Stokes phase-field method (NS-PFM) was examined, combining NS equations for a continuous fluid with a diffuse-interface model based on the van der Waals-Cahn-Hilliard free-energy theory. Through the numerical simulations, the following major findings were obtained: (1) The first version of NS-PFM gives good predictions of interfacial shapes and motions in an incompressible, isothermal two-phase fluid with high density ratio on solid surface with heterogeneous wettability. (2) The second version successfully captures liquid-vapor motions with heat and mass transfer across interfaces in phase change of a non-ideal fluid around the critical point.


2020 ◽  
Vol 6 (1) ◽  
Author(s):  
Qiao Wang ◽  
Geng Zhang ◽  
Yajie Li ◽  
Zijian Hong ◽  
Da Wang ◽  
...  

AbstractRechargeable batteries have a profound impact on our daily life so that it is urgent to capture the physical and chemical fundamentals affecting the operation and lifetime. The phase-field method is a powerful computational approach to describe and predict the evolution of mesoscale microstructures, which can help to understand the dynamic behavior of the material systems. In this review, we briefly introduce the theoretical framework of the phase-field model and its application in electrochemical systems, summarize the existing phase-field simulations in rechargeable batteries, and provide improvement, development, and problems to be considered of the future phase-field simulation in rechargeable batteries.


2013 ◽  
Vol 470 ◽  
pp. 100-103
Author(s):  
Dong Sheng Chen ◽  
Ming Chen ◽  
Rui Chang Wang

PFM (phase field method) was employed to study microstructure evolution, and considering the effect of solute concentration to the undercooling, we developed a phase field model for binary alloy on the basis of pure substance model. In the paper, the temperature field and solute field were coupled together in the phase field model to calculate the crystal growth of magnesium alloy in directional solidification. The simulation results showed a non-planar crystal growth of planar to cellular to columnar dendrite, the comparison of different dendrite patterns were carried out in the numerical simulation, and with the increasing of the anisotropy, the second dendrite arms became more developed.


2013 ◽  
Vol 749 ◽  
pp. 660-667
Author(s):  
Yu Hong Zhao ◽  
Wei Jin Liu ◽  
Hua Hou ◽  
Yu Hui Zhao

The Phase Field model of solidification processes was carried out coupled with temperature field model. The influence of interface atomic time on dendrite growth morphology in undercooled melt was simulated with pure nickel. The experimental results show that when the interface atomic motion time parameter is minor, the liquid-solid interfaces were unstable, disturbance can be amplified easily so the complicated side branches will grow, and the disturbance speed up the dendrite growth. With the increase of , the liquid-solid interfaces become more stable and finally the smooth dendrite morphology can be obtained.


2002 ◽  
Vol 753 ◽  
Author(s):  
Chen Shen ◽  
Michael J. Mills ◽  
Yunzhi Wang

ABSTRACTWe incorporate γ-surface data of both γ and γ′ phases from ab initio calculations into the phase field model to study dislocation dissociation and interaction with γ′ particles in Ni-based superalloys. Through three examples we demonstrate the unique capabilities of the model in characterizing the core structure of a dissociated superdislocation in γ′ phase, the creation and annihilation of planar defects such as CSF and APB caused by dislocation cutting through the γ′ phase and the interplay between the cutting and looping mechanisms.


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